(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C13H20N2O4 — CID 61137336

IUPAC(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-9(16)14-6-2-4-10(8-14)12(17)15-7-3-5-11(15)13(18)19/h10-11H,2-8H2,1H3,(H,18,19)/t10?,11-/m0/s1
InChIKeyZURDVTCFOWTXNU-DTIOYNMSSA-N
MW268.31 g/mol
LogP0.32
Rot. Bonds2

About (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61137336) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61137336
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-9(16)14-6-2-4-10(8-14)12(17)15-7-3-5-11(15)13(18)19/h10-11H,2-8H2,1H3,(H,18,19)/t10?,11-/m0/s1
InChIKeyZURDVTCFOWTXNU-DTIOYNMSSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 61137336) is (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid is CC(=O)N1CCCC(C(=O)N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZURDVTCFOWTXNU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(16)14-6-2-4-10(8-14)12(17)15-7-3-5-11(15)13(18)19/h10-11H,2-8H2,1H3,(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).